N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C23H27N3O2S — CID 112786767

About N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 112786767) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 112786767
• Molecular Formula: C23H27N3O2S
• Molecular Weight: 409.56 g/mol
• Exact Mass: 409.18
• IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• SMILES: Cc1cccc(C(C)C)c1NC(=O)CSc1nnc(CC(C)c2ccccc2)o1
• InChI: InChI=1S/C23H27N3O2S/c1-15(2)19-12-8-9-16(3)22(19)24-20(27)14-29-23-26-25-21(28-23)13-17(4)18-10-6-5-7-11-18/h5-12,15,17H,13-14H2,1-4H3,(H,24,27)
• InChIKey: DWOQORYJYNFNPE-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.56
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 112786767) is N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1cccc(C(C)C)c1NC(=O)CSc1nnc(CC(C)c2ccccc2)o1.

What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is DWOQORYJYNFNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-15(2)19-12-8-9-16(3)22(19)24-20(27)14-29-23-26-25-21(28-23)13-17(4)18-10-6-5-7-11-18/h5-12,15,17H,13-14H2,1-4H3,(H,24,27).

What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 409.56 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 112786767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).